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N-[(7S)-10-({(2S)-1-[(4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-1-oxopropan-2-yl}amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

Catalog ID
STL547990
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)N2CC[C@@]3([C@H](C2)CCCC3)O)C)NC(=O)C)cc(c1OC)OC

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C33H43N3O7 MW 593.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H43N3O7/c1-19(32(39)36-15-14-33(40)13-7-6-8-22(33)18-36)34-26-12-10-23-24(17-27(26)38)25(35-20(2)37)11-9-21-16-28(41-3)30(42-4)31(43-5)29(21)23/h10,12,16-17,19,22,25,40H,6-9,11,13-15,18H2,1-5H3,(H,34,38)(H,35,37)/t19-,22-,25-,33-/m0/s1
InChIKey
BRTIIQVHGMDMDR-CQFCMBBJSA-N
Synonyms

~(N)((7~(S))10(((2~(S))1((4~(a)~(S)8~(a)~(S))4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)1oxopropan2yl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
121541672
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)N2CCC3(C(C2)CCCC3)O)C)NC(=O)C)cc(c1OC)OC
InChI=1SC33H43N3O7c119(32(39)36151433(40)1376822(33)1836)342612102324(1727(26)38)25(3520(2)37)119211628(413)30(424)31(435)29(21)23h1012161719222540H6911131518H215H3(H3438)(H3537)t19222533m0s1
N((7S)10(((2S)1((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)1oxopropan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((7S)10(((2S)1(4ahydroxyoctahydroisoquinolin2(1H)yl)1oxopropan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000263584867
ZINC263584867

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Available files

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